SCHEMBL210381

SCHEMBL210381

COC(=O)c1ccc(Cc2cc(C#N)c(N)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
KCNH2 Q12809 1/20 0.40
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
CYP4A11 Q02928 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2732583 0.82 LOXL2 (0.50) LOXL2CA12CA1CA2CA9
SCHEMBL209551 0.80 MAPT (0.48) LOXL2CA12CA1CA2CA9
SCHEMBL9889383 0.73 CYP4A11 (0.49) LOXL2TP53MAPTCYP3A4CYP2C9
SCHEMBL29108983 0.72 ALDH1A1 (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL28445821 0.72 SAE1 (0.57) LOXL2CA12CA1CA2CA9
SCHEMBL4160460 0.71 TSHR (0.72) LOXL2CA12CA1CA2CA9
SCHEMBL69454 0.71 LOXL2 (0.70) LOXL2CA12CA1CA2CA9
SCHEMBL28448630 0.70 NPC1 (0.51) LOXL2CA1CA2NPC1RAB9A
SCHEMBL4245233 0.70 LOXL2 (0.65) LOXL2CA12CA1CA2CA9
SCHEMBL1564819 0.69 MAPT (0.59) NPC1RAB9AMAPTCYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LOXL2 3426/4885CA12 1957/4885CA1 2297/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LOXL2 3088/4885CA12 2154/4885CA1 2424/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.